Covpdb









Ligand
Ligand Name:   Rao-IV-151
Ligand Type:   non-polymer
Ligand ID:   COVPDB338 PubChem:   129626280
Synonym(s):  
  •   (2e)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)prop-2-enamide
  • 73a
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1cc(Cl)ccc1-c(c(c23)c(N)ncn2)c(n3CCOC)/C=C(\C#N)C(=O)NC(C)C
Standard InChI:   InChI=1S/C22H23ClN6O2/c1-13(2)28-22(30)15(11-24)10-17-18(14-4-6-16(23)7-5-14)19-20(25)26-12-27-21(19)29(17)8-9-31-3/h4-7,10,12-13H,8-9H2,1-3H3,(H,28,30)(H2,25,26,27)/b15-10+
Molecular Formula:   C22H23ClN6O2 Mol. Weight:   438.1571 logP:   3.41188
HBD:   2 HBA:   7
#Rotatable Bonds:   7 TPSA:   118.85

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proto-oncogene tyrosine-protein kinase Src P00523 (SRC_CHICK) Gallus gallus (Chicken) 5SWH 71D
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